(2R)-2-[[2-[(5-oxidanyl-1H-indol-2-yl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-[(5-oxidanyl-1H-indol-2-yl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(5-hydroxy-1H-indole-2-carbonyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[(5-hydroxy-1H-indol-2-yl)-oxomethyl]amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(5-hydroxy-1H-indole-2-carbonyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-[(5-hydroxy-1H-indole-2-carbonyl)amino]-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC3=C(N2)C=CC(=C3)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC3=C(N2)C=CC(=C3)O

InChI

InChI=1S/C22H23N3O5S/c26-15-6-7-16-14(11-15)12-18(23-16)21(28)24-17(8-9-31)20(27)25-19(22(29)30)10-13-4-2-1-3-5-13/h1-7,11-12,17,19,23,26,31H,8-10H2,(H,24,28)(H,25,27)(H,29,30)/t17?,19-/m1/s1